7-methylnon-1-yne

C10H18 — CID 522420

IUPAC7-methylnon-1-yne
SMILESC#CCCCCC(C)CC
InChIInChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h1,10H,5-9H2,2-3H3
InChIKeyILTCNNWNFZMWTJ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.23
Rot. Bonds5

About 7-methylnon-1-yne

7-methylnon-1-yne (PubChem CID 522420) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 7-methylnon-1-yne.

Molecular Properties

Compound Name7-methylnon-1-yne
PubChem CID522420
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name7-methylnon-1-yne
SMILESC#CCCCCC(C)CC
InChIInChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h1,10H,5-9H2,2-3H3
InChIKeyILTCNNWNFZMWTJ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methylnon-1-yne?
The IUPAC name of 7-methylnon-1-yne (CID 522420) is 7-methylnon-1-yne.
What is the SMILES notation for 7-methylnon-1-yne?
The canonical SMILES for 7-methylnon-1-yne is C#CCCCCC(C)CC.
What is the InChIKey of 7-methylnon-1-yne?
The InChIKey is ILTCNNWNFZMWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h1,10H,5-9H2,2-3H3.
What are the key properties of 7-methylnon-1-yne?
7-methylnon-1-yne has a molecular weight of 138.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylnon-1-yne is sourced from PubChem (CID 522420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).